(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol

C17H16N2O — CID 105097633

IUPAC(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
SMILESCc1ccc(C(O)c2cncc3ccccc23)c(C)n1
InChIInChI=1S/C17H16N2O/c1-11-7-8-14(12(2)19-11)17(20)16-10-18-9-13-5-3-4-6-15(13)16/h3-10,17,20H,1-2H3
InChIKeyUOHZUGVNOXIOTH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.33
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol

(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol (PubChem CID 105097633) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
PubChem CID105097633
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
SMILESCc1ccc(C(O)c2cncc3ccccc23)c(C)n1
InChIInChI=1S/C17H16N2O/c1-11-7-8-14(12(2)19-11)17(20)16-10-18-9-13-5-3-4-6-15(13)16/h3-10,17,20H,1-2H3
InChIKeyUOHZUGVNOXIOTH-UHFFFAOYSA-N
XLogP3.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798
isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
CID 105097605
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol (CID 105097633) is (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol is Cc1ccc(C(O)c2cncc3ccccc23)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol?
The InChIKey is UOHZUGVNOXIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-7-8-14(12(2)19-11)17(20)16-10-18-9-13-5-3-4-6-15(13)16/h3-10,17,20H,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol?
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol has a molecular weight of 264.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 105097633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).